Abstract
Second order charge overlap effects and the related dispersion energy damping functions have been evaluated for the H-(1s)-H(1s) interaction through partial wave indices l a+ l b such that ( l a+ l b) ⩽ 13. These results are a substantial improvement on, or addition to, previous literature results and are important since they can be used, following several available scaling approaches, to construct damping functions for other interactions. They also indicate that the “spherical” energies are not an insignificant part of the total second order Coulomb energy until R becomes reasonably large. The various approaches for evaluating the non-expanded second order Coulomb energy are compared and the difficulties associated with the accurate determination of these energies, and the related damping functions, for general interactions are discussed in some detail.
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